SCHEMBL24969220

SCHEMBL24969220

Clc1cc(-c2ccccc2)cc2c1sc1ccc(-c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.48
ESR2 Q92731 1/20 0.44
PIM3 Q86V86 3/20 0.40
PIM1 P11309 3/20 0.39
PIM2 Q9P1W9 3/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ROCK1 Q13464 1/20 0.36
CYP1A2 P05177 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
F9 P00740 2/20 0.36
PLAU P00749 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
RHEB Q15382 1/20 0.35
AHR P35869 3/20 0.33
CYP1B1 Q16678 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22701855 0.86 LIMK1 (0.45) LIMK1ESR2PIM3PIM1PIM2
SCHEMBL22701806 0.85 LIMK1 (0.47) LIMK1ESR2PIM3PIM1PIM2
SCHEMBL25567737 0.85 LIMK1 (0.47) LIMK1ESR2PIM3PIM1PIM2
SCHEMBL22701898 0.84 LIMK1 (0.46) LIMK1ESR2PIM3PIM1PIM2
SCHEMBL29993944 0.81 LIMK1 (0.49) LIMK1PIM3PIM1PIM2TNKS
SCHEMBL13129307 0.81 LIMK1 (0.49) LIMK1PIM3PIM1PIM2TNKS
SCHEMBL22035308 0.80 LIMK1 (0.54) LIMK1PIM3PIM1PIM2TNKS
SCHEMBL1635659 0.80 LIMK1 (0.54) LIMK1PIM3PIM1PIM2TNKS
SCHEMBL13689762 0.80 LIMK1 (0.48) LIMK1PIM3PIM1PIM2TNKS
SCHEMBL16182142 0.80 LIMK1 (0.48) LIMK1PIM3PIM1PIM2TNKS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed